Structure of PDB 2gco Chain A Binding Site BS02

Receptor Information
>2gco Chain A (length=188) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHSSGLVPAAIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENY
IADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSL
ENIPEKWTPEVKHFCPNVPIILVGNKKDLRQDEHTRRELAKMKQEPVRSE
EGRDMANRISAFGYLECSAKTKEGVREVFEMATRAGLQ
Ligand information
Ligand IDGNP
InChIInChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
InChIKeyUQABYHGXWYXDTK-UUOKFMHZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
FormulaC10 H17 N6 O13 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
ChEMBLCHEMBL1233085
DrugBankDB02082
ZINCZINC000037868676
PDB chain2gco Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2gco X-ray Crystal Structures Reveal Two Activated States for RhoC.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		A15 G17 K18 T19 C20 G62 K118 D120 L121 S160 A161 K162
Binding residue
(residue number reindexed from 1)		A23 G25 K26 T27 C28 G70 K126 D128 L129 S168 A169 K170
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0019901 protein kinase binding
Biological Process
GO:0000281 mitotic cytokinesis
GO:0007015 actin filament organization
GO:0007165 signal transduction
GO:0007264 small GTPase-mediated signal transduction
GO:0030335 positive regulation of cell migration
GO:0031334 positive regulation of protein-containing complex assembly
GO:0032956 regulation of actin cytoskeleton organization
GO:0043123 positive regulation of canonical NF-kappaB signal transduction
GO:0043297 apical junction assembly
GO:0044319 wound healing, spreading of cells
GO:0051496 positive regulation of stress fiber assembly
GO:0060193 positive regulation of lipase activity
GO:1902766 skeletal muscle satellite cell migration
Cellular Component
GO:0005634 nucleus
GO:0005789 endoplasmic reticulum membrane
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0032154 cleavage furrow
GO:0032420 stereocilium
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2gco, PDBe:2gco, PDBj:2gco
PDBsum2gco
PubMed17497936
UniProtP08134|RHOC_HUMAN Rho-related GTP-binding protein RhoC (Gene Name=RHOC)

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